| 1 | Dispersionless Nonhybrid Density Functional | 3.8 | 4 | Citations (PDF) |
| 2 | Multielectron dynamics, polarization, and Stark shifts for carbon monoxide molecule and molecular ions in a strong laser field | 2.2 | 0 | Citations (PDF) |
| 3 | Theory cracks old data: Rovibrational energy levels of
ortho
H
2
–CO derived from experiment | 8.2 | 7 | Citations (PDF) |
| 4 | Accurate reference spectra of HD in an H2–He bath for planetary applications | 4.0 | 10 | Citations (PDF) |
| 5 | Crystal structure predictions for molecules with soft degrees of freedom using intermonomer force fields derived from first principles | 1.1 | 5 | Citations (PDF) |
| 6 | Ab Initio Calculation of Fluid Properties for Precision Metrology | 1.6 | 33 | Citations (PDF) |
| 7 | Crystal Structure Predictions for 4-Amino-2,3,6-trinitrophenol Using a Tailor-Made First-Principles-Based Force Field | 2.5 | 11 | Citations (PDF) |
| 8 | Absolute measurements of state-to-state rotational energy transfer between CO and
H2
at interstellar temperatures | 1.8 | 17 | Citations (PDF) |
| 9 | Ammonia dimer: extremely fluxional but still hydrogen bonded | 11.0 | 28 | Citations (PDF) |
| 10 | Factors influencing hydrogen peroxide versus water inclusion in molecular crystals | 2.1 | 12 | Citations (PDF) |
| 11 | Reliable crystal structure predictions from first principles | 11.0 | 62 | Citations (PDF) |
| 12 | Physical mechanisms of intermolecular interactions from symmetry-adapted perturbation theory | 1.9 | 32 | Citations (PDF) |
| 13 | Extension of an Atom–Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and Biocatalysts | 1.9 | 10 | Citations (PDF) |
| 14 | On the role of coupled-clusters' full triple and perturbative quadruple excitations on rovibrational spectra of van der Waals complexes | 1.1 | 4 | Citations (PDF) |
| 15 | SAPT codes for calculations of intermolecular interaction energies | 2.2 | 72 | Citations (PDF) |
| 16 | Automatic Generation of Flexible-Monomer Intermolecular Potential Energy Surfaces | 3.8 | 43 | Citations (PDF) |
| 17 | QED calculation of the dipole polarizability of helium atom | 1.8 | 56 | Citations (PDF) |
| 18 | Ab Initio Extended Hartree–Fock plus Dispersion Method Applied to Dimers with Hundreds of Atoms | 1.9 | 13 | Citations (PDF) |
| 19 | A statistically guided grid generation method and its application to intermolecular potential energy surfaces | 2.2 | 13 | Citations (PDF) |
| 20 | Nine questions on energy decomposition analysis | 2.3 | 146 | Citations (PDF) |
| 21 | Molecular dimers of methane clathrates: ab initio potential energy surfaces and variational vibrational states | 2.1 | 39 | Citations (PDF) |
| 22 | Dispersion Energy from Local Polarizability Density | 5.8 | 15 | Citations (PDF) |
| 23 | Does a pair of methane molecules aggregate in water? | 2.2 | 7 | Citations (PDF) |
| 24 | Evaluation of methods for obtaining dispersion energies used in density functional calculations of intermolecular interactions | 1.2 | 30 | Citations (PDF) |
| 25 | Do Semilocal Density-Functional Approximations Recover Dispersion Energies at Small Intermonomer Separations? | 5.8 | 47 | Citations (PDF) |
| 26 | Fully quantum calculation of the second and third virial coefficients of water and its isotopologues fromab initiopotentials | 2.7 | 30 | Citations (PDF) |
| 27 | All-dimensional H2–CO potential: Validation with fully quantum second virial coefficients | 2.2 | 16 | Citations (PDF) |
| 28 | Pair Potential with Submillikelvin Uncertainties and Nonadiabatic Treatment of the Halo State of the Helium Dimer | 5.8 | 61 | Citations (PDF) |
| 29 | Automatic Generation of Intermolecular Potential Energy Surfaces | 3.8 | 73 | Citations (PDF) |
| 30 | On the importance of full-dimensionality in low-energy molecular scattering calculations | 2.7 | 48 | Citations (PDF) |
| 31 | Blind test of density-functional-based methods on intermolecular interaction energies | 2.2 | 114 | Citations (PDF) |
| 32 | Geometry-dependent distributed polarizability models for the water molecule | 2.2 | 10 | Citations (PDF) |
| 33 | Report on the sixth blind test of organic crystal structure prediction methods | 1.1 | 561 | Citations (PDF) |
| 34 | Theoretical determination of the polarizability dispersion and the refractive index of helium | 1.8 | 84 | Citations (PDF) |
| 35 | 2013 Benjamin Franklin Medal in Physics presented to Alexander Dalgarno | 2.4 | 0 | Citations (PDF) |
| 36 | Ab Initio Water Pair Potential with Flexible Monomers | 1.9 | 49 | Citations (PDF) |
| 37 | EXPERIMENTAL AND THEORETICAL ANALYSIS OF LOW-ENERGY CO + H
2
INELASTIC COLLISIONS | 7.2 | 38 | Citations (PDF) |
| 38 | Frequency-Dependent Polarizability of Helium Including Relativistic Effects with Nuclear Recoil Terms | 5.8 | 37 | Citations (PDF) |
| 39 | Path-integral calculation of the second virial coefficient including intramolecular flexibility effects | 2.2 | 18 | Citations (PDF) |
| 40 | Localized overlap algorithm for unexpanded dispersion energies | 2.2 | 7 | Citations (PDF) |
| 41 | The 2010 Benjamin Franklin Medal in Physics presented to J. Ignacio Cirac, David J. Wineland and Peter Zoller | 2.4 | 1 | Citations (PDF) |
| 42 | Determination of Structure and Properties of Molecular Crystals from First Principles | 11.8 | 41 | Citations (PDF) |
| 43 | Is Electrostatics Sufficient to Describe Hydrogen‐Bonding Interactions? | 2.4 | 67 | Citations (PDF) |
| 44 | Predictions for water clusters from a first-principles two- and three-body force field | 2.2 | 69 | Citations (PDF) |
| 45 | On asymptotic behavior of density functional theory | 2.2 | 35 | Citations (PDF) |
| 46 | Asymptotic dispersion energies from distributed polarizabilities | 2.1 | 20 | Citations (PDF) |
| 47 | A comprehensive experimental and theoretical study of H2−CO spectra | 2.2 | 57 | Citations (PDF) |
| 48 | Distributed molecular polarisabilities and asymptotic intermolecular interaction energies† | 1.1 | 27 | Citations (PDF) |
| 49 | Three-Body Nonadditive Potential for Argon with Estimated Uncertainties and Third Virial Coefficient | 1.9 | 52 | Citations (PDF) |
| 50 | Theory and application of explicitly correlated Gaussians | 29.4 | 333 | Citations (PDF) |
| 51 | How well can polarization models of pairwise nonadditive forces describe liquid water? | 2.2 | 19 | Citations (PDF) |
| 52 | Relation between properties of long-range diatomic bound states | 1.8 | 11 | Citations (PDF) |
| 53 | Second virial coefficients of H2 and its isotopologues from a six-dimensional potential | 2.2 | 46 | Citations (PDF) |
| 54 | Onset of Casimir-Polder Retardation in a Long-Range Molecular Quantum State | 5.8 | 19 | Citations (PDF) |
| 55 | Efficient Calculations of Dispersion Energies for Nanoscale Systems from Coupled Density Response Functions | 3.8 | 48 | Citations (PDF) |
| 56 | Symmetry‐adapted perturbation theory of intermolecular forces | 6.6 | 623 | Citations (PDF) |
| 57 | Effects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium | 2.2 | 282 | Citations (PDF) |
| 58 | Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies | 2.2 | 107 | Citations (PDF) |
| 59 | Spectra of water dimer from a new ab initio potential with flexible monomers | 2.2 | 121 | Citations (PDF) |
| 60 | A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) crystal using a symmetry adapted perturbation theory-based intermolecular force field | 2.1 | 50 | Citations (PDF) |
| 61 | Potential energy surface and rotational cross sections for methyl formate colliding with helium | 2.2 | 33 | Citations (PDF) |
| 62 | Interaction energies of large clusters from many-body expansion | 2.2 | 149 | Citations (PDF) |
| 63 | Argon pair potential at basis set and excitation limits | 2.2 | 138 | Citations (PDF) |
| 64 | Orbital relaxation and the third-order induction energy in symmetry-adapted perturbation theory | 1.2 | 36 | Citations (PDF) |
| 65 | Superfluid helium nanodroplets: 2006 Benjamin Franklin Medal in Physics presented to Giacinto Scoles and J. Peter Toennies | 2.4 | 0 | Citations (PDF) |
| 66 | Extension of the Hartree−Fock Plus Dispersion Method by First-Order Correlation Effects | 3.1 | 94 | Citations (PDF) |
| 67 | Relativistic and Quantum Electrodynamics Effects in the Helium Pair Potential | 5.8 | 152 | Citations (PDF) |
| 68 | Improved interaction energy benchmarks for dimers of biological relevance | 2.1 | 108 | Citations (PDF) |
| 69 | Explicitly-correlated Gaussian geminals in electronic structure calculations | 1.1 | 27 | Citations (PDF) |
| 70 | Vibration–rotation-tunneling states of the benzene dimer: an ab initio study | 2.1 | 80 | Citations (PDF) |
| 71 | Third-order dispersion energy from response functions | 2.2 | 5 | Citations (PDF) |
| 72 | Towards the complete understanding of water by a first-principles computational approach | 2.1 | 93 | Citations (PDF) |
| 73 | Dispersionless Density Functional Theory | 5.8 | 178 | Citations (PDF) |
| 74 | Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles | 2.1 | 57 | Citations (PDF) |
| 75 | Effects of monomer flexibility on spectra of N2–HF | 2.1 | 8 | Citations (PDF) |
| 76 | Physical origins of interactions in dimers of polycyclic aromatic hydrocarbons | 2.1 | 139 | Citations (PDF) |
| 77 | Potential energy surface for interactions between two hydrogen molecules | 2.2 | 150 | Citations (PDF) |
| 78 | An accurate analytic representation of the water pair potential | 2.1 | 98 | Citations (PDF) |
| 79 | Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes | 2.2 | 69 | Citations (PDF) |
| 80 | Polarizable interaction potential for water from coupled cluster calculations. II. Applications to dimer spectra, virial coefficients, and simulations of liquid water | 2.2 | 91 | Citations (PDF) |
| 81 | Interplay between theory and experiment in investigations of molecules embedded in superfluid helium nanodroplets | 0.7 | 90 | Citations (PDF) |
| 82 | Water trimer torsional spectrum from accurate ab initio and semiempirical potentials | 2.2 | 33 | Citations (PDF) |
| 83 | Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface | 2.2 | 97 | Citations (PDF) |
| 84 | Predicting Structure of Molecular Crystals from First Principles | 5.8 | 152 | Citations (PDF) |
| 85 | Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers | 2.2 | 90 | Citations (PDF) |
| 86 | Interactions in Diatomic Dimers Involving Closed-Shell Metals | 1.9 | 101 | Citations (PDF) |
| 87 | Frozen core and effective core potentials in symmetry-adapted perturbation theory | 2.2 | 30 | Citations (PDF) |
| 88 | Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory | 2.1 | 73 | Citations (PDF) |
| 89 | Accurate Pair Interaction Energies for Helium from Supermolecular Gaussian Geminal Calculations† | 1.9 | 55 | Citations (PDF) |
| 90 | Three-Body Contribution to the Helium Interaction Potential | 1.9 | 51 | Citations (PDF) |
| 91 | Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data | 2.2 | 150 | Citations (PDF) |
| 92 | Electrostatic interaction energies with overlap effects from a localized approach | 2.1 | 12 | Citations (PDF) |
| 93 | Potential Energy Surface for the Benzene Dimer and Perturbational Analysis of π−π Interactions | 1.9 | 379 | Citations (PDF) |
| 94 | Density-Fitting Method in Symmetry-Adapted Perturbation Theory Based on Kohn−Sham Description of Monomers | 3.8 | 158 | Citations (PDF) |
| 95 | Portable parallel implementation of symmetry-adapted perturbation theory code | 1.1 | 14 | Citations (PDF) |
| 96 | Improved low-temperature rate constants for rotational excitation of CO by H$_\mathsf{2}$ | 4.0 | 99 | Citations (PDF) |
| 97 | Interaction energies between glycopeptide antibiotics and substrates in complexes determined by X-ray crystallography: application of a theoretical databank of aspherical atoms and a symmetry-adapted perturbation theory-based set of interatomic potentials | 3.2 | 32 | Citations (PDF) |
| 98 | Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers | 2.2 | 64 | Citations (PDF) |
| 99 | Third-order interactions in symmetry-adapted perturbation theory | 2.2 | 99 | Citations (PDF) |
| 100 | Accurate interaction energies for argon, krypton, and benzene dimers from perturbation theory based on the Kohn–Sham model | 2.1 | 95 | Citations (PDF) |
| 101 | Efficient calculation of coupled Kohn–Sham dynamic susceptibility functions and dispersion energies with density fitting | 2.1 | 112 | Citations (PDF) |
| 102 | A new ab initio interaction energy surface and high-resolution spectra of the H2–CO van der Waals complex | 2.2 | 109 | Citations (PDF) |
| 103 | Potential energy surface and second virial coefficient of methane-water fromab initiocalculations | 2.2 | 51 | Citations (PDF) |
| 104 | (HCl)2 and (HF)2 in small helium clusters: Quantum solvation of hydrogen-bonded dimers | 2.2 | 17 | Citations (PDF) |
| 105 | Relativistic Correction to the Helium Dimer Interaction Energy | 5.8 | 33 | Citations (PDF) |
| 106 | Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations | 2.2 | 494 | Citations (PDF) |
| 107 | Accurateab initiopotential for argon dimer including highly repulsive region | 1.1 | 116 | Citations (PDF) |
| 108 | Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers | 2.2 | 174 | Citations (PDF) |
| 109 | Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion | 2.2 | 48 | Citations (PDF) |
| 110 | Collisional quenching of antiprotonic helium atoms in gaseous helium | 1.8 | 15 | Citations (PDF) |
| 111 | Radiative Corrections to the Polarizability of Helium | 5.8 | 131 | Citations (PDF) |
| 112 | Intermolecular potential energy surface and spectra of He–HCl with generalization to other rare gas–hydrogen halide complexes | 2.2 | 38 | Citations (PDF) |
| 113 | Helium Dimer Interaction Energies from Gaussian Geminal and Orbital Calculations† | 1.9 | 52 | Citations (PDF) |
| 114 | Dispersion Energy from Density-Functional Theory Description of Monomers | 5.8 | 353 | Citations (PDF) |
| 115 | On the Performance of Bond Functions and Basis Set Extrapolation Techniques in High-Accuracy Calculations of Interatomic Potentials. A Helium Dimer Study | 0.0 | 57 | Citations (PDF) |
| 116 | Ab initio three-body interactions for water. I. Potential and structure of water trimer | 2.2 | 114 | Citations (PDF) |
| 117 | Potential energy surface and rovibrational spectrum of He–N2O dimer | 2.2 | 48 | Citations (PDF) |
| 118 | Ab initio studies of He–HCCCN interaction | 2.2 | 60 | Citations (PDF) |
| 119 | Ab initio three-body interactions for water. II. Effects on structure and energetics of liquid | 2.2 | 72 | Citations (PDF) |
| 120 | Efficient Generation of Flexible-Monomer Intermolecular Potential Energy Surfaces | 5.8 | 20 | Citations (PDF) |
| 121 | Prediction of the phase behavior of acetonitrile and methanol with ab initio pair potentials. I. Pure components | 2.2 | 30 | Citations (PDF) |
| 122 | Symmetry-forcing procedure and convergence behavior of perturbation expansions for molecular interaction energies | 2.2 | 26 | Citations (PDF) |
| 123 | Prediction of the phase behavior of acetonitrile and methanol with ab initio pair potentials. II. The mixture | 2.2 | 25 | Citations (PDF) |
| 124 | Ab initio potential energy surface and second virial coefficient for He–H2O complex | 1.3 | 56 | Citations (PDF) |
| 125 | Intermolecular forces from asymptotically corrected density functional description of monomers | 2.1 | 285 | Citations (PDF) |
| 126 | Complete ab initio three-body nonadditive potential in Monte Carlo simulations of vapor–liquid equilibria and pure phases of argon | 2.2 | 85 | Citations (PDF) |
| 127 | Intermolecular potentials with flexible monomers | 2.7 | 19 | Citations (PDF) |
| 128 | Intermolecular potential energy surfaces and spectra of Ne–HCN complex from ab initio calculations | 2.2 | 47 | Citations (PDF) |
| 129 | Vibrations, Tunneling, and Transition Dipole Moments in the Water Dimer | 1.9 | 103 | Citations (PDF) |
| 130 | Symmetry-adapted perturbation theory with regularized Coulomb potential | 1.3 | 28 | Citations (PDF) |
| 131 | Spectra of N2–HF from symmetry-adapted perturbation theory potential | 2.2 | 20 | Citations (PDF) |
| 132 | Breit-Pauli and Direct Perturbation Theory Calculations of Relativistic Helium Polarizability | 5.8 | 59 | Citations (PDF) |
| 133 | Spectra of Ar–CO2 fromab initiopotential energy surfaces | 2.2 | 73 | Citations (PDF) |
| 134 | Perturbation theory of three-body exchange nonadditivity and application to helium trimer | 2.2 | 69 | Citations (PDF) |
| 135 | Density Shift and Broadening of Transition Lines in Antiprotonic Helium | 5.8 | 44 | Citations (PDF) |
| 136 | Water pair potential of near spectroscopic accuracy. I. Analysis of potential surface and virial coefficients | 2.2 | 170 | Citations (PDF) |
| 137 | On the optimal choice of monomer geometry in calculations of intermolecular interaction energies: Rovibrational spectrum of Ar–HF from two- and three-dimensional potentials | 2.2 | 108 | Citations (PDF) |
| 138 | Gaussian geminals in explicitly correlated coupled cluster theory including single and double excitations | 2.2 | 68 | Citations (PDF) |
| 139 | Third virial coefficient of argon | 2.2 | 27 | Citations (PDF) |
| 140 | Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory | 2.2 | 292 | Citations (PDF) |
| 141 | Ab Initio Interaction Potentials for Simulations of Dimethylnitramine Solutions in Supercritical Carbon Dioxide with Cosolvents | 1.9 | 79 | Citations (PDF) |
| 142 | Does the methyl group form a hydrogen bond? Ab initio post-Hartree–Fock study on ethane–hydrogen cyanide complex | 2.1 | 11 | Citations (PDF) |
| 143 | Ab initio potential energy surface and infrared spectra of H2-CO and D2-CO van der Waals complexes | 2.2 | 112 | Citations (PDF) |
| 144 | Symmetry-adapted perturbation theory of three-body nonadditivity in the Ar2HF trimer | 2.2 | 29 | Citations (PDF) |
| 145 | Analytic first-order properties from explicitly correlated many-body perturbation theory and Gaussian geminal basis | 2.2 | 14 | Citations (PDF) |
| 146 | Pair potential for water from symmetry-adapted perturbation theory | 2.2 | 142 | Citations (PDF) |
| 147 | Three-Body Contribution to Binding Energy of Solid Argon and Analysis of Crystal Structure | 5.8 | 92 | Citations (PDF) |
| 148 | Symmetry-adapted perturbation theory of three-body nonadditivity in Ar trimer | 2.2 | 99 | Citations (PDF) |
| 149 | Symmetry-adapted perturbation theory of three-body nonadditivity of intermolecular interaction energy | 2.2 | 121 | Citations (PDF) |
| 150 | Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets | 2.2 | 288 | Citations (PDF) |
| 151 | Effects of monomer geometry and basis set saturation on computed depth of water dimer potential | 2.2 | 162 | Citations (PDF) |
| 152 | Dynamical coupling of the diatom vibrational motions in collisions of N2 with N2+ | 1.8 | 2 | Citations (PDF) |
| 153 | Helium dimer potential from symmetry-adapted perturbation theory | 2.1 | 63 | Citations (PDF) |
| 154 | Basis set superposition problem in interaction energy calculations with explicitly correlated bases: Saturated second‐ and third‐order energies for He2 | 2.2 | 80 | Citations (PDF) |
| 155 | Second‐order correlation energy for H2O using explicitly correlated Gaussian geminals | 2.2 | 48 | Citations (PDF) |
| 156 | On the effectiveness of monomer‐, dimer‐, and bond‐centered basis functions in calculations of intermolecular interaction energies | 2.2 | 231 | Citations (PDF) |
| 157 | Dispersion energy in the coupled pair approximation with noniterative inclusion of single and triple excitations | 2.2 | 73 | Citations (PDF) |
| 158 | Intermolecular potential and rovibrational levels of Ar–HF from symmetry‐adapted perturbation theory | 2.2 | 70 | Citations (PDF) |
| 159 | New effective strategy of generating Gaussian‐type geminal basis sets for correlation energy calculations | 2.2 | 30 | Citations (PDF) |
| 160 | Symmetry-adapted perturbation theory of potential-energy surfaces for weakly bound molecular complexes | 1.3 | 36 | Citations (PDF) |
| 161 | Many‐body theory of exchange effects in intermolecular interactions. Second‐quantization approach and comparison with full configuration interaction results | 2.2 | 126 | Citations (PDF) |
| 162 | Many‐body theory of exchange effects in intermolecular interactions. Density matrix approach and applications to He–F−, He–HF, H2–HF, and Ar–H2 dimers | 2.2 | 150 | Citations (PDF) |
| 163 | Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes | 43.1 | 2,740 | Citations (PDF) |
| 164 | Symmetry‐adapted perturbation theory calculation of the Ar–H2 intermolecular potential energy surface | 2.2 | 149 | Citations (PDF) |
| 165 | Many-body symmetry-adapted perturbation theory study of the He⋯F− interaction | 1.8 | 23 | Citations (PDF) |
| 166 | Symmetry-adapted perturbation theory calculations of uracil—water interaction energy | 2.1 | 19 | Citations (PDF) |
| 167 | Convergence properties and large-order behavior of the polarization expansion for the interaction energy of hydrogen atoms | 2.1 | 43 | Citations (PDF) |
| 168 | Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers | 2.2 | 339 | Citations (PDF) |
| 169 | The role of symmetry in collisions of N2 with N+2 | 2.2 | 15 | Citations (PDF) |
| 170 | Fusion rates for deuterium in titanium clusters | 1.6 | 3 | Citations (PDF) |
| 171 | A theoretical study of the water dimer interaction | 2.2 | 261 | Citations (PDF) |
| 172 | Variational calculation of the energy levels for thetdμion | 1.8 | 62 | Citations (PDF) |
| 173 | Intraatomic correlation effects for the He–He dispersion and exchange–dispersion energies using explicitly correlated Gaussian geminals | 2.2 | 84 | Citations (PDF) |
| 174 | New Born–Oppenheimer potential energy curve and vibrational energies for the electronic ground state of the hydrogen molecule | 2.2 | 294 | Citations (PDF) |
| 175 | Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. V. Cartesian Gaussian geminals and the neon atom | 2.2 | 88 | Citations (PDF) |
| 176 | Correlated calculation of the interaction in the nitromethane dimer | 2.2 | 24 | Citations (PDF) |
| 177 | Molecular effects in tritiumβdecay: Transitions to the discrete electronic states of theHeT+molecule | 1.8 | 50 | Citations (PDF) |
| 178 | Molecular effects in tritiumβdecay. II. Rotation-vibration excitation, dissociation, and rotational predissociation in the decay of theT2and TH molecules | 1.8 | 28 | Citations (PDF) |
| 179 | Effect of vibrations on the energy unresolved electron scattering by H2 and D2 | 2.2 | 9 | Citations (PDF) |
| 180 | Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. III. Coupled cluster treatment for He, Be, H2, and LiH | 2.2 | 110 | Citations (PDF) |
| 181 | Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. IV. A simplified treatment of strong orthogonality in MBPT and coupled cluster calculations | 2.2 | 99 | Citations (PDF) |
| 182 | Generalized oscillator strengths for X-B transitions in the hydrogen molecule | 2.4 | 11 | Citations (PDF) |
| 183 | Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. I. Second‐order perturbation treatment for He, Be, H2, and LiH | 2.2 | 141 | Citations (PDF) |
| 184 | Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. II. Perturbation treatment through third order for He, Be, H2, and LiH | 2.2 | 88 | Citations (PDF) |
| 185 | Energy unresolved differential cross section for electron scattering by H2 | 2.2 | 60 | Citations (PDF) |
| 186 | Inelastic high‐energy electron scattering from a hydrogen molecule. I. X–B and X–E transitions | 2.2 | 28 | Citations (PDF) |
| 187 | On application of 0s orbitals in SCF calculations | 2.2 | 77 | Citations (PDF) |
| 188 | Wave functions in momentum space. I. Iterative computation for the helium atom in Hartree–Fock approximation | 2.2 | 22 | Citations (PDF) |
| 189 | Analytic continuation in exchange perturbation theory | 2.2 | 61 | Citations (PDF) |
| 190 | Padé approximants and the convergence problem in the perturbation theory of intermolecular interactions | 2.1 | 12 | Citations (PDF) |
| 191 | Molecular electric polarizabilities. CI and explicitly correlated electric-field-variant functions. Calculation of the polarizability of H2 | 2.1 | 27 | Citations (PDF) |
| 192 | High-accuracy Compton profile of molecular hydrogen from explicitly correlated Gaussian wave function | 1.8 | 86 | Citations (PDF) |
| 193 | Symmetry-adapted double-perturbation analysis of intramolecular correlation effects in weak intermolecular interactions | 1.1 | 264 | Citations (PDF) |
| 194 | Incorrect asymptotics of dispersion energy in dispersion-augmented density functional approximations | 1.1 | 1 | Citations (PDF) |
| 195 | A Reliable and Inexpensive Flexible Molecule Crystal Structure Prediction Protocol Based on First Principles | 3.8 | 3 | Citations (PDF) |
| 196 | Breaking the 1 cm
–1
Discrepancy with Experiment Limit in First-Principles Calculations of Water Dimer Vibration–Rotation–Tunneling Spectra | 3.1 | 8 | Citations (PDF) |
| 197 | HF dimer: a new full-dimensional potential energy surface validated by rigorous 6D quantum calculations of HF-stretch excited intra- and intermolecular vibrational states and tunneling splittings | 1.1 | 2 | Citations (PDF) |
| 198 | Improving Crystal Structure Predictions Using Clusters Cut from Crystals | 2.5 | 0 | Citations (PDF) |
| 199 | Computational Predictions of Properties of Atoms, Molecules, Fluids, and Solids: 2025 Benjamin Franklin Medal in Physics presented to John P. Perdew, Ph.D. | 2.4 | 0 | Citations (PDF) |
| 200 | How Long-Range Are Three-Body “Exchange” Interactions in Liquid Water? | 3.8 | 0 | Citations (PDF) |
| 201 | Importance of Monomer-Flexibility Effects for Spectra of Molecular Clusters | 3.1 | 0 | Citations (PDF) |
| 202 | Preface to special issue: The beauty of accurate molecular quantum mechanics, a Festschrift in honour of Zlatko Bačić | 1.1 | 0 | Citations (PDF) |
| 203 | Dispersion from
Polarizabilities of Atoms in Molecule:
DPAIM | 3.8 | 0 | Citations (PDF) |
